Benz(a)anthracene-3,4-dione, 7,12-dimethyl-

HCID 3035232

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Basic information

CAS: 70092-13-6
Standard SMILES: Cc1c2ccccc2c(C)c2c3c(ccc12)C(=O)C(=O)C=C3
InChIKey: ZDXRXHJYIKTZBH-UHFFFAOYSA-N
Molecular formula: C20H14O2
Average molar mass: 286.3 g/mol
Monoisotopic mass: 286.09937969

Names & identifiers

Preferred name: Benz(a)anthracene-3,4-dione, 7,12-dimethyl-
IUPAC: 7,12-dimethylbenzo[a]anthracene-3,4-dione

Names & synonyms

70092-13-6Benz(a)anthracene-3,4-dione, 7,12-dimethyl-7,12-Dimethylbenz(a)anthracene-3,4-dione7,12-Dimethylbenz[a]anthracene-3,4-dioneCCRIS 7613Benz[a]anthracene-3,4-dione, 7,12-dimethyl-3MYK5DYP7JDTXSID602203687,12-Dimethyltetraphene-3,4-dione7,12-dimethyl-benzo[a]anthracene-3,4-dione

Database identifiers

CAS: 70092-13-6
PubChem CID: 3035232
DTXSID: DTXSID60220368
UNII: 3MYK5DYP7J
Nikkaji: J549.594F

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 520

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